2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phthalimido-acetamide Formula: C20H12BrN3O3S MolecularWeight: 454.29658

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H12BrN3O3S/c1-2-9-23-15-8-7-12(21)10-16(15)28-20(23)22-17(25)11-24-18(26)13-5-3-4-6-14(13)19(24)27/h1,3-8,10H,9,11H2